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| CAS No.: | 1121-19-3 |
|---|---|
| Name: | 3-Hydroxy-4-methylpyridine |
| Molecular Structure: | |
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| Formula: | C6H7NO |
| Molecular Weight: | 109.128 |
| Synonyms: | 4-Methyl-3-hydroxypyridine;3-Pyridinol, 4-methyl-;4-Methyl-3-pyridinol; |
| Density: | 1.121 g/cm3 |
| Melting Point: | 118-120 °C |
| Boiling Point: | 316.183 °C at 760 mmHg |
| Flash Point: | 145.023 °C |
| Hazard Symbols: | Xn |
| Risk Codes: | 22 |
| PSA: | 33.12000 |
| LogP: | 1.09560 |
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Specification
The 3-Hydroxy-4-methylpyridine, with the CAS registry number 1121-19-3, is also known as 4-Methyl-3-hydroxypyridine. It belongs to the product categories of Pharmacetical; Pyridines. This chemical's molecular formula is C6H7NO and molecular weight is 109.13. What's more, its IUPAC name is 4-methylpyridin-3-ol.
Physical properties of 3-Hydroxy-4-methylpyridine are: (1)ACD/LogP: 1.10; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.51; (4)ACD/LogD (pH 7.4): 0.74; (5)ACD/BCF (pH 5.5): 1.03; (6)ACD/BCF (pH 7.4): 1.78; (7)ACD/KOC (pH 5.5): 24.2; (8)ACD/KOC (pH 7.4): 41.61; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 22.12 Å2; (13)Index of Refraction: 1.55; (14)Molar Refractivity: 31.05 cm3; (15)Molar Volume: 97.3 cm3; (16)Surface Tension: 46.3 dyne/cm; (17)Density: 1.12 g/cm3; (18)Flash Point: 145 °C; (19)Enthalpy of Vaporization: 57.97 kJ/mol; (20)Boiling Point: 316.2 °C at 760 mmHg; (21)Vapour Pressure: 0.000225 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CC1=C(C=NC=C1)O
(2)InChI: InChI=1S/C6H7NO/c1-5-2-3-7-4-6(5)8/h2-4,8H,1H3
(3)InChIKey: WYOZXMYWGIJYSQ-UHFFFAOYSA-N